3-[1-(ethylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-4,5-dimethyl-benzoic acid

Systemtic Name: 3-[1-(ethylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-4,5-dimethyl-benzoic acid Openeye Name: 3-[2-(ethylamino)-1-methyl-2-oxo-ethyl]sulfonyl-4,5-dimethyl-benzoic acid CAS Name: 3-[1-(ethylamino)-1-oxopropan-2-yl]sulfonyl-4,5-dimethylbenzoic acid IUPAC Name: 3-[1-(ethylamino)-1-oxopropan-2-yl]sulfonyl-4,5-dimethylbenzoic acid Traditional Name: 3-[2-(ethylamino)-2-keto-1-methyl-ethyl]sulfonyl-4,5-dimethyl-benzoic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)S(=O)(=O)C1=CC(=CC(=C1C)C)C(=O)O

Isomeric SMILES

CCNC(=O)C(C)S(=O)(=O)C1=CC(=CC(=C1C)C)C(=O)O

InChI

InChI=1S/C14H19NO5S/c1-5-15-13(16)10(4)21(19,20)12-7-11(14(17)18)6-8(2)9(12)3/h6-7,10H,5H2,1-4H3,(H,15,16)(H,17,18)